add const for variable functions (#7037)

* add const for variable functions

* add const for variable functions

---------

Co-authored-by: linpz <linpz@mail.ustc.edu.cn>
Co-authored-by: Mohan Chen <mohanchen@pku.edu.cn>

Author: 3 people

source/source_base/complexarray.cpp

@@ -85,7 +85,7 @@ void ComplexArray::operator=(const std::complex < double> c){
 	const int size = this->getSize();
 	for (int i = 0; i < size; i++)
 		ptr[i] = c;}
-ComplexArray ComplexArray::operator+(const ComplexArray &cd){
+ComplexArray ComplexArray::operator+(const ComplexArray &cd) const{
 	const int size = this->getSize();
 	assert(size==cd.getSize());
 	ComplexArray cd2(*this);
@@ -98,7 +98,7 @@ void ComplexArray::operator+=(const ComplexArray & cd){
 	for (int i = 0; i < size; i++)
 		ptr[i] += cd.ptr[i];
 }
-ComplexArray ComplexArray::operator-(const ComplexArray &cd){
+ComplexArray ComplexArray::operator-(const ComplexArray &cd) const{
 	const int size = this->getSize();
 	assert(size==cd.getSize());
 	ComplexArray cd2(*this);
@@ -123,7 +123,7 @@ ComplexArray operator*(const double r, const ComplexArray &cd){
 	for (int i = 0; i < size; i++)
 		cd2.ptr[i] *= r;
 	return cd2;}
-ComplexArray ComplexArray::operator*(const double r){
+ComplexArray ComplexArray::operator*(const double r) const{
 	ComplexArray cd2(*this);
 	const int size = this->getSize();
 	for (int i = 0; i < size; i++)
@@ -135,7 +135,7 @@ ComplexArray operator*(const std::complex < double> c, const ComplexArray &cd){
 	for (int i = 0; i < size; i++)
 		cd2.ptr[i] = c * cd.ptr[i];
 	return cd2;}
-ComplexArray ComplexArray::operator*(const std::complex < double> c){
+ComplexArray ComplexArray::operator*(const std::complex < double> c) const{
 	const int size = this->getSize();
 	ComplexArray cd(size);
 	for (int i = 0; i < size; i++)

source/source_base/complexarray.h

@@ -35,17 +35,17 @@ class ComplexArray
 	/// Assignment of scalar:  all entries set to c.
 	void operator=(std::complex <double> c);
 	/// Add two ComplexArray
-	ComplexArray operator+(const ComplexArray &cd);
+	ComplexArray operator+(const ComplexArray &cd) const;
 	/// Accumulate sum of ComplexArray
 	void operator+=(const ComplexArray &cd);
 	/// Subtract two ComplexArray
-	ComplexArray operator-(const ComplexArray &cd);
+	ComplexArray operator-(const ComplexArray &cd) const;
 	/// Accumulate difference of arrays
 	void operator-=(const ComplexArray &cd);
 	/// Scale a ComplexArray by real r
-	ComplexArray operator*(const double r);
+	ComplexArray operator*(const double r) const;
 	/// Scale a ComplexArray by a std::complex number c
-	ComplexArray operator*(const std::complex <double> c);
+	ComplexArray operator*(const std::complex <double> c) const;
 	/// Scale a ComplexArray by real number in place
 	void operator*=(const double r);
 	/// Scale a ComplexArray by std::complex c in place

source/source_base/complexmatrix.cpp

@@ -438,7 +438,7 @@ std::ostream & ComplexMatrix::print( std::ostream & os, const double threshold_a
 	return os;
 }
 
-bool ComplexMatrix::checkreal(void)
+bool ComplexMatrix::checkreal(void) const
 {
 	const double tiny = 1e-12;
 	for(int i=0;i<this->nr;i++)

source/source_base/complexmatrix.h

@@ -62,7 +62,7 @@ class ComplexMatrix
 	std::ostream & print( std::ostream & os, const double threshold_abs=0.0, const double threshold_imag=0.0 ) const;		// Peize Lin add 2021.09.08
 
 	// check if all the elements are real
-	bool checkreal(void);
+	bool checkreal(void) const;
 
 	using type=std::complex<double>;					// Peiae Lin add 2022.08.08 for template
 };

source/source_base/formatter.h

@@ -66,7 +66,7 @@ class FmtCore
      *  
      * @return std::string 
      */
-    const std::string& fmt() { return fmt_; }
+    const std::string& fmt() const { return fmt_; }
     /**
      * Python-style string functions will be implemented here as toolbox
      */

source/source_base/opt_CG.h

@@ -45,11 +45,11 @@ class Opt_CG
                        int& ifPD        // if postive definit
     );
 
-    double get_residual()
+    double get_residual() const
     {
         return sqrt(this->gg_);
     };
-    int get_iter()
+    int get_iter() const
     {
         return this->iter_;
     }

source/source_basis/module_nao/radial_set.cpp

@@ -138,7 +138,7 @@ void RadialSet::indexing()
     }
 }
 
-const NumericalRadial& RadialSet::chi(const int l, const int izeta)
+const NumericalRadial& RadialSet::chi(const int l, const int izeta) const
 {
     int i = index_map_[l * nzeta_max_ + izeta];
 #ifdef __DEBUG

source/source_basis/module_nao/radial_set.h

@@ -159,7 +159,7 @@ class RadialSet
     int nzeta_max() const { return nzeta_max_; }
     int nchi() const { return nchi_; }
 
-    const NumericalRadial& chi(const int l, const int izeta);
+    const NumericalRadial& chi(const int l, const int izeta) const;
     const NumericalRadial* cbegin() const { return chi_; }
     const NumericalRadial* cend() const { return chi_ + nchi_; }
     ///@}

source/source_cell/pseudo.cpp

@@ -38,7 +38,7 @@ void pseudo::check_betar()
 	}
 }
 
-void pseudo::print_pseudo(std::ofstream& ofs)
+void pseudo::print_pseudo(std::ofstream& ofs) const
 {
 	print_pseudo_vl(ofs);
 	ofs << "\n pseudo : ";
@@ -50,7 +50,7 @@ void pseudo::print_pseudo(std::ofstream& ofs)
 	ofs << "\n ----------------------";
 }
 
-void pseudo::print_pseudo_atom(std::ofstream &ofs)
+void pseudo::print_pseudo_atom(std::ofstream& ofs) const
 {
 	print_pseudo_h(ofs);
 	ofs << "\n pseudo_atom : ";
@@ -66,15 +66,15 @@ void pseudo::print_pseudo_atom(std::ofstream &ofs)
 }
 
 
-void pseudo::print_pseudo_vl(std::ofstream &ofs)
+void pseudo::print_pseudo_vl(std::ofstream& ofs) const
 {
 	ofs << "\n pseudo_vl:";
 	print_pseudo_atom(ofs);
 	output::printr1_d(ofs, "vloc_at : ", vloc_at.data(), mesh);
 	ofs << "\n ----------------------------------- ";
 }
 
-void pseudo::print_pseudo_h(std::ofstream &ofs)
+void pseudo::print_pseudo_h(std::ofstream& ofs) const
 {
     ofs << "\n pseudo_info :";
     ofs << "\n nv       " << nv;

source/source_cell/pseudo.h

@@ -82,10 +82,10 @@ class pseudo
      */
     void check_betar();
 
-    void print_pseudo_h(std::ofstream& ofs);
-    void print_pseudo_atom(std::ofstream& ofs);
-    void print_pseudo_vl(std::ofstream& ofs);
-    void print_pseudo(std::ofstream& ofs);
+    void print_pseudo_h(std::ofstream& ofs) const;
+    void print_pseudo_atom(std::ofstream& ofs) const;
+    void print_pseudo_vl(std::ofstream& ofs) const;
+    void print_pseudo(std::ofstream& ofs) const;
 };
 
 #endif // PSEUDO_H